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Author: Sadhan Adhikari
Publisher: Academic Press
ISBN: 0323140718
Category : Technology & Engineering
Languages : en
Pages : 509
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Book Description
Dynamical Collision Theory and Its Applications reviews some of the powerful methods that have evolved for calculating the predictions of dynamical collision theory. Topics range from scattering theory to potential scattering, three- and four-particle scattering, multiparticle scattering, many-particle Lippmann-Schwinger equations, and the connected-kernel approach. This book is comprised of nine chapters; the first of which introduces the reader to the quantum theory of scattering. This topic is followed by a discussion on two-particle potential scattering and various methods for calculating off-shell two-body amplitudes as well as approximating them by finite-rank forms. The next chapters focus on the interpretation and applicability of the multichannel, multiparticle Lippmann-Schwinger equations, along with the known N-particle connected-kernel integral equations and their physical predictions. Descriptions of contemporary field-theoretical and relativistic approaches, such as the Dirac phenomenology for intermediate energy nucleon-nucleus scattering, are included. The singularity structure of multiparticle amplitudes and the associated dispersion-relation techniques are also considered. This book concludes by describing the relationship between the conventional (optical potentials, multiple-scattering theories, and the coupled-reaction channel and resonating-group methods) and the few-body approaches. This text is primarily intended for chemists, physicists, and graduate students interested in general scattering theory; intermediate and low-energy hadron and nuclear physics; atomic and molecular physics; statistical mechanics; and physical and quantum chemistry. There are a number of topics in this book that will be interesting to both mathematicians and particle physicists, as well as advanced graduate students in courses that involve collision theory.
Author: Sadhan Adhikari
Publisher: Academic Press
ISBN: 0323140718
Category : Technology & Engineering
Languages : en
Pages : 509
Get Book Here
Book Description
Dynamical Collision Theory and Its Applications reviews some of the powerful methods that have evolved for calculating the predictions of dynamical collision theory. Topics range from scattering theory to potential scattering, three- and four-particle scattering, multiparticle scattering, many-particle Lippmann-Schwinger equations, and the connected-kernel approach. This book is comprised of nine chapters; the first of which introduces the reader to the quantum theory of scattering. This topic is followed by a discussion on two-particle potential scattering and various methods for calculating off-shell two-body amplitudes as well as approximating them by finite-rank forms. The next chapters focus on the interpretation and applicability of the multichannel, multiparticle Lippmann-Schwinger equations, along with the known N-particle connected-kernel integral equations and their physical predictions. Descriptions of contemporary field-theoretical and relativistic approaches, such as the Dirac phenomenology for intermediate energy nucleon-nucleus scattering, are included. The singularity structure of multiparticle amplitudes and the associated dispersion-relation techniques are also considered. This book concludes by describing the relationship between the conventional (optical potentials, multiple-scattering theories, and the coupled-reaction channel and resonating-group methods) and the few-body approaches. This text is primarily intended for chemists, physicists, and graduate students interested in general scattering theory; intermediate and low-energy hadron and nuclear physics; atomic and molecular physics; statistical mechanics; and physical and quantum chemistry. There are a number of topics in this book that will be interesting to both mathematicians and particle physicists, as well as advanced graduate students in courses that involve collision theory.
Author: Sadhan K. Adhikari
Publisher: Academic Press
ISBN:
Category : Collisions (Nuclear physics)
Languages : en
Pages : 520
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Book Description
Dynamical Collision Theory and Its Applications reviews some of the powerful methods that have evolved for calculating the predictions of dynamical collision theory. Topics range from scattering theory to potential scattering, three- and four-particle scattering, multiparticle scattering, many-particle Lippmann-Schwinger equations, and the connected-kernel approach. This book is comprised of nine chapters; the first of which introduces the reader to the quantum theory of scattering. This topic is followed by a discussion on two-particle potential scattering and various methods for calculating ...
Author: S. G. Christov
Publisher: Springer Science & Business Media
ISBN: 3642931421
Category : Science
Languages : en
Pages : 336
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Book Description
Since the discovery of quantum mechanics,more than fifty years ago,the theory of chemical reactivity has taken the first steps of its development. The knowledge of the electronic structure and the properties of atoms and molecules is the basis for an un derstanding of their interactions in the elementary act of any chemical process. The increasing information in this field during the last decades has stimulated the elaboration of the methods for evaluating the potential energy of the reacting systems as well as the creation of new methods for calculation of reaction probabili ties (or cross sections) and rate constants. An exact solution to these fundamental problems of theoretical chemistry based on quan tum mechanics and statistical physics, however, is still impossible even for the simplest chemical reactions. Therefore,different ap proximations have to be used in order to simplify one or the other side of the problem. At present, the basic approach in the theory of chemical reactivity consists in separating the motions of electrons and nu clei by making use of the Born-Oppenheimer adiabatic approximation to obtain electronic energy as an effective potential for nuclear motion. If the potential energy surface is known, one can calculate, in principle, the reaction probability for any given initial state of the system. The reaction rate is then obtained as an average of the reaction probabilities over all possible initial states of the reacting ~artic1es. In the different stages of this calculational scheme additional approximations are usually introduced.
Author: Santosh K. Upadhyay
Publisher: Springer Science & Business Media
ISBN: 1402045476
Category : Science
Languages : en
Pages : 256
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Book Description
Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.
Author: W. Miller
Publisher: Springer Science & Business Media
ISBN: 1475706448
Category : Science
Languages : en
Pages : 391
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Book Description
Activity in any theoretical area is usually stimulated by new experimental techniques and the resulting opportunity of measuring phenomena that were previously inaccessible. Such has been the case in the area under consideration he re beginning about fifteen years aga when the possibility of studying chemical reactions in crossed molecular beams captured the imagination of physical chemists, for one could imagine investigating chemical kinetics at the same level of molecular detail that had previously been possible only in spectroscopic investigations of molecular stucture. This created an interest among chemists in scattering theory, the molecular level description of a bimolecular collision process. Many other new and also powerful experimental techniques have evolved to supplement the molecular be am method, and the resulting wealth of new information about chemical dynamics has generated the present intense activity in molecular collision theory. During the early years when chemists were first becoming acquainted with scattering theory, it was mainly a matter of reading the physics literature because scattering experiments have long been the staple of that field. It was natural to apply the approximations and models that had been developed for nuclear and elementary particle physics, and although some of them were useful in describing molecular collision phenomena, many were not.
Author: Mandeep Dalal
Publisher: Dalal Institute
ISBN: 8193872010
Category : Science
Languages : en
Pages : 432
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Book Description
An advanced-level textbook of physical chemistry for the graduate (B.Sc) and postgraduate (M.Sc) students of Indian and foreign universities. This book is a part of four volume series, entitled "A Textbook of Physical Chemistry – Volume I, II, III, IV". CONTENTS: Chapter 1. Quantum Mechanics – I: Postulates of quantum mechanics; Derivation of Schrodinger wave equation; Max-Born interpretation of wave functions; The Heisenberg’s uncertainty principle; Quantum mechanical operators and their commutation relations; Hermitian operators (elementary ideas, quantum mechanical operator for linear momentum, angular momentum and energy as Hermition operator); The average value of the square of Hermitian operators; Commuting operators and uncertainty principle(x & p; E & t); Schrodinger wave equation for a particle in one dimensional box; Evaluation of average position, average momentum and determination of uncertainty in position and momentum and hence Heisenberg’s uncertainty principle; Pictorial representation of the wave equation of a particle in one dimensional box and its influence on the kinetic energy of the particle in each successive quantum level; Lowest energy of the particle. Chapter 2. Thermodynamics – I: Brief resume of first and second Law of thermodynamics; Entropy changes in reversible and irreversible processes; Variation of entropy with temperature, pressure and volume; Entropy concept as a measure of unavailable energy and criteria for the spontaneity of reaction; Free energy, enthalpy functions and their significance, criteria for spontaneity of a process; Partial molar quantities (free energy, volume, heat concept); Gibb’s-Duhem equation. Chapter 3. Chemical Dynamics – I: Effect of temperature on reaction rates; Rate law for opposing reactions of Ist order and IInd order; Rate law for consecutive & parallel reactions of Ist order reactions; Collision theory of reaction rates and its limitations; Steric factor; Activated complex theory; Ionic reactions: single and double sphere models; Influence of solvent and ionic strength; The comparison of collision and activated complex theory. Chapter 4. Electrochemistry – I: Ion-Ion Interactions: The Debye-Huckel theory of ion- ion interactions; Potential and excess charge density as a function of distance from the central ion; Debye Huckel reciprocal length; Ionic cloud and its contribution to the total potential; Debye - Huckel limiting law of activity coefficients and its limitations; Ion-size effect on potential; Ion-size parameter and the theoretical mean-activity coefficient in the case of ionic clouds with finite-sized ions; Debye - Huckel-Onsager treatment for aqueous solutions and its limitations; Debye-Huckel-Onsager theory for non-aqueous solutions; The solvent effect on the mobality at infinite dilution; Equivalent conductivity (Λ) vs. concentration c 1/2 as a function of the solvent; Effect of ion association upon conductivity (Debye- Huckel - Bjerrum equation). Chapter 5. Quantum Mechanics – II: Schrodinger wave equation for a particle in a three dimensional box; The concept of degeneracy among energy levels for a particle in three dimensional box; Schrodinger wave equation for a linear harmonic oscillator & its solution by polynomial method; Zero point energy of a particle possessing harmonic motion and its consequence; Schrodinger wave equation for three dimensional Rigid rotator; Energy of rigid rotator; Space quantization; Schrodinger wave equation for hydrogen atom, separation of variable in polar spherical coordinates and its solution; Principle, azimuthal and magnetic quantum numbers and the magnitude of their values; Probability distribution function; Radial distribution function; Shape of atomic orbitals (s,p & d). Chapter 6. Thermodynamics – II: Classius-Clayperon equation; Law of mass action and its thermodynamic derivation; Third law of thermodynamics (Nernest heat theorem, determination of absolute entropy, unattainability of absolute zero) and its limitation; Phase diagram for two completely miscible components systems; Eutectic systems, Calculation of eutectic point; Systems forming solid compounds Ax By with congruent and incongruent melting points; Phase diagram and thermodynamic treatment of solid solutions. Chapter 7. Chemical Dynamics – II: Chain reactions: hydrogen-bromine reaction, pyrolysis of acetaldehyde, decomposition of ethane; Photochemical reactions (hydrogen - bromine & hydrogen -chlorine reactions); General treatment of chain reactions (ortho-para hydrogen conversion and hydrogen - bromine reactions); Apparent activation energy of chain reactions, Chain length; Rice-Herzfeld mechanism of organic molecules decomposition(acetaldehyde); Branching chain reactions and explosions ( H2-O2 reaction); Kinetics of (one intermediate) enzymatic reaction : Michaelis-Menton treatment; Evaluation of Michaelis 's constant for enzyme-substrate binding by Lineweaver-Burk plot and Eadie-Hofstae methods; Competitive and non-competitive inhibition. Chapter 8. Electrochemistry – II: Ion Transport in Solutions: Ionic movement under the influence of an electric field; Mobility of ions; Ionic drift velocity and its relation with current density; Einstein relation between the absolute mobility and diffusion coefficient; The Stokes- Einstein relation; The Nernst -Einstein equation; Walden’s rule; The Rate-process approach to ionic migration; The Rate process equation for equivalent conductivity; Total driving force for ionic transport, Nernst - Planck Flux equation; Ionic drift and diffusion potential; the Onsager phenomenological equations; The basic equation for the diffusion; Planck-Henderson equation for the diffusion potential.
Author: Lampros A A Nikolopoulos
Publisher: Morgan & Claypool Publishers
ISBN: 168174712X
Category : Science
Languages : en
Pages : 195
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Book Description
The dynamics of quantum systems exposed to ultrafast (at the femtosecond time-scale) and strong laser radiation has a highly non-linear character, leading to a number of new phenomena, outside the reach of traditional spectroscopy. The current laser technology makes feasible the probing and control of quantum-scale systems with fields that are as strong as the interatomic Coulombic interactions and time resolution that is equal to (or less than) typical atomic evolution times. It is indispensable that any theoretical description of the induced physical processes should rely on the accurate calculation of the atomic structure and a realistic model of the laser radiation as pulsed fields. This book aims to provide an elementary introduction of theoretical and computational methods and by no means is anywhere near to complete. The selection of the topics as well as the particular viewpoint is best suited for early-stage students and researchers; the included material belongs in the mainstream of theoretical approaches albeit using simpler language without sacrificing mathematical accuracy. Therefore, subjects such as the Hilbert vector-state, density-matrix operators, amplitude equations, Liouville equation, coherent laser radiation, free-electron laser, Dyson-chronological operator, subspace projection, perturbation theory, stochastic density-matrix equations, time-dependent Schrödinger equation, partial-wave analysis, spherical-harmonics expansions, basis and grid wavefunction expansions, ionization, electron kinetic-energy and angular distributions are presented within the context of laser-atom quantum dynamics.
Author: H. Broer
Publisher: Elsevier
ISBN: 0080932266
Category : Mathematics
Languages : en
Pages : 556
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Book Description
In this volume, the authors present a collection of surveys on various aspects of the theory of bifurcations of differentiable dynamical systems and related topics. By selecting these subjects, they focus on those developments from which research will be active in the coming years. The surveys are intended to educate the reader on the recent literature on the following subjects: transversality and generic properties like the various forms of the so-called Kupka-Smale theorem, the Closing Lemma and generic local bifurcations of functions (so-called catastrophe theory) and generic local bifurcations in 1-parameter families of dynamical systems, and notions of structural stability and moduli. - Covers recent literature on various topics related to the theory of bifurcations of differentiable dynamical systems - Highlights developments that are the foundation for future research in this field - Provides material in the form of surveys, which are important tools for introducing the bifurcations of differentiable dynamical systems
Author: John Z. H. Zhang
Publisher: World Scientific
ISBN: 9789810233884
Category : Science
Languages : en
Pages : 390
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Book Description
This book gives an updated and detailed presentation of modern quantum-mechanical treatments and practical computational methods for dynamical processes of small molecular systems. The main emphasis is on the recent development of successful theories and computational methods for the reactive scattering process. Specific applications are given in detail for a number of benchmark chemical reaction systems in the gas phase and gas surface. Differing from traditional physics books focusing on abstract collision theory for elastic collisions, the book has been written in a fashion in which the development of general reactive or rearrangement scattering theory is accompanied by practical applications for realistic reaction systems.
Author: Hiroki Nakamura
Publisher: World Scientific
ISBN: 9811203431
Category : Science
Languages : en
Pages : 394
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Book Description
Nonadiabatic transition is a highly multi-disciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology. This book is intended to be readable to a broad audience so that they can deepen their understanding of the basic concepts of both time-independent and time-dependent nonadiabatic transitions. Quantum mechanically intriguing phenomena such as complete reflection and nonadiabatic tunneling are emphasized. The Zhu-Nakamura theory that can deal with non-negligible classically forbidden transitions is explained. Furthermore, by controlling nonadiabatic transitions induced by an external field such as laser, designing chemical reaction dynamics as we desire is shown to be theoretically possible.
